(1-cyclobutylpyrrol-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone

C15H23N3O — CID 114610398

IUPAC(1-cyclobutylpyrrol-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CNCCN1C(=O)c1cccn1C1CCC1
InChIInChI=1S/C15H23N3O/c1-15(2)11-16-8-10-18(15)14(19)13-7-4-9-17(13)12-5-3-6-12/h4,7,9,12,16H,3,5-6,8,10-11H2,1-2H3
InChIKeyWMQAZHNJWNPUIQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.04
Rot. Bonds2

About (1-cyclobutylpyrrol-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone

(1-cyclobutylpyrrol-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone (PubChem CID 114610398) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (1-cyclobutylpyrrol-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-cyclobutylpyrrol-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone
PubChem CID114610398
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(1-cyclobutylpyrrol-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CNCCN1C(=O)c1cccn1C1CCC1
InChIInChI=1S/C15H23N3O/c1-15(2)11-16-8-10-18(15)14(19)13-7-4-9-17(13)12-5-3-6-12/h4,7,9,12,16H,3,5-6,8,10-11H2,1-2H3
InChIKeyWMQAZHNJWNPUIQ-UHFFFAOYSA-N
XLogP2.04
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-cyclobutylpyrrol-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (1-cyclobutylpyrrol-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone (CID 114610398) is (1-cyclobutylpyrrol-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-cyclobutylpyrrol-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (1-cyclobutylpyrrol-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone is CC1(C)CNCCN1C(=O)c1cccn1C1CCC1.
What is the InChIKey of (1-cyclobutylpyrrol-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone?
The InChIKey is WMQAZHNJWNPUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2)11-16-8-10-18(15)14(19)13-7-4-9-17(13)12-5-3-6-12/h4,7,9,12,16H,3,5-6,8,10-11H2,1-2H3.
What are the key properties of (1-cyclobutylpyrrol-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone?
(1-cyclobutylpyrrol-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone has a molecular weight of 261.37 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclobutylpyrrol-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 114610398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).